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95-50-1 molecular structure
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1,2-dichlorobenzene

ChemBase ID: 92279
Molecular Formular: C6H4Cl2
Molecular Mass: 147.00196
Monoisotopic Mass: 145.96900549
SMILES and InChIs

SMILES:
Clc1c(cccc1)Cl
Canonical SMILES:
Clc1ccccc1Cl
InChI:
InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey:
RFFLAFLAYFXFSW-UHFFFAOYSA-N

Cite this record

CBID:92279 http://www.chembase.cn/molecule-92279.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dichlorobenzene
IUPAC Traditional name
o-dichlorobenzene
Synonyms
o-DICHLOROBENZENE
Dowtherm® E
1,2-Dichlorobenzene solution
1,2-Dichlorobenzene, HPLC Grade
1,2-Dichlorobenzene, Spectrophotometric Grade
1,2-Dichlorobenzene
1,2-Dichlorobenzene
1,2-Dichlorobenzene
Chloroben
Chloroden
DCB
o-Dichlor benzol
Dilantin DB
O-DICHLOROBENZENE, CERTIFIED GRADE
O-DICHLOROBENZENE, HPLC/SPECTRO GRADE
ortho-Dichlorobenzene
o-Dichlorobenzene
odcb
o-Dichlorobenzene
1,2-二氯苯 溶液
1,2-二氯代苯, HPLC级
1,2-二氯苯, 光谱级
1,2-二氯苯
CAS Number
95-50-1
EC Number
200-659-6
202-425-9
MDL Number
MFCD00000535
Beilstein Number
606078
Merck Index
143056
PubChem SID
24872042
162078977
24854428
24871992
24854580
24864905
24862390
24893959
24872246
24882102
24856382
24859981
PubChem CID
7239
CHEBI ID
35290
CHEMBL
298461
Chemspider ID
13837988
KEGG ID
C14328
Unique Ingredient Identifier
6PJ93I88XL
Wikipedia Title
1,2-Dichlorobenzene

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1813352  LogD (pH = 7.4) 3.1813352 
Log P 3.1813352  Molar Refractivity 35.6676 cm3
Polarizability 14.105713 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Melting Point
-17.03°C expand Show data source
-17.5 °C expand Show data source
-17.5°C expand Show data source
-17--14 °C expand Show data source
-18 to -17°C expand Show data source
-18°C expand Show data source
-18--17 °C(lit.) expand Show data source
Boiling Point
178-180 °C(lit.) expand Show data source
178-180°C expand Show data source
180 °C expand Show data source
180.5°C expand Show data source
180°C expand Show data source
ca. 180 °C at 1013 hPa expand Show data source
Flash Point
1.4 °F expand Show data source
10 °C expand Show data source
150.8 °F expand Show data source
-17 °C expand Show data source
50 °F expand Show data source
66 °C expand Show data source
66°C expand Show data source
68 °C (closed cup) expand Show data source
68°C(154°F) expand Show data source
Auto Ignition Point
>= 600 °C expand Show data source
1198 °F expand Show data source
Density
1.298 g/cm3 at 20 °C expand Show data source
1.298 g/ml expand Show data source
1.30 g/cm3 expand Show data source
1.305 g/mL at 20 °C expand Show data source
1.306 expand Show data source
1.306 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.551 expand Show data source
1.5510 expand Show data source
n20/D 1.551 expand Show data source
n20/D 1.551(lit.) expand Show data source
n20/D 1.5510-1.5520 expand Show data source
n20/D 1.552 expand Show data source
Vapor Pressure
1.2 mmHg ( 20 °C) expand Show data source
1.3 - 1.4 hPa at 20 °C expand Show data source
1.6 mmHg ( 35 °C) expand Show data source
Vapor Density
5.07 (air = 1) expand Show data source
5.1 (vs air) expand Show data source
Absorption Wavelength
λ: 296 nm Amax: 1.00 expand Show data source
λ: 300 nm Amax: 0.30 expand Show data source
λ: 305 nm Amax: 0.20 expand Show data source
λ: 306 nm Amax: 0.20 expand Show data source
λ: 335 nm Amax: 0.05 expand Show data source
λ: 336 nm Amax: 0.05 expand Show data source
λ: 375-400 nm Amax: 0.01 expand Show data source
λ: 376-400 nm Amax: 0.01 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Toxic/Harmful/Irritant/Light Sensitive expand Show data source
RTECS
CZ4500000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
X expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1230 expand Show data source
1591 expand Show data source
1993 expand Show data source
UN1591 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
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German water hazard class
1 expand Show data source
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
6.1 expand Show data source
Packing Group
2 expand Show data source
3 expand Show data source
III expand Show data source
Australian Hazchem
2Z expand Show data source
Risk Statements
11-22-36-50/53-66-67 expand Show data source
11-23/24/25-39/23/24/25 expand Show data source
11-36-51/53-66-67 expand Show data source
22-36/37/38-50/53 expand Show data source
23/24/25-39/23/24/25-51/53 expand Show data source
R:22-36/37/38-50/53 expand Show data source
Safety Statements
16-26-61 expand Show data source
23-60-61 expand Show data source
36/37-45-61 expand Show data source
7-16-36/37-45 expand Show data source
S:23-60-61 expand Show data source
EU Classification
T1 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
152 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source